7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone

C20H24N2O3 — CID 136564292

IUPAC7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone
SMILESCCCOc1nc2ccccc2cc1C(=O)N1CCC12CCOCC2
InChIInChI=1S/C20H24N2O3/c1-2-11-25-18-16(14-15-5-3-4-6-17(15)21-18)19(23)22-10-7-20(22)8-12-24-13-9-20/h3-6,14H,2,7-13H2,1H3
InChIKeyVYTHWROUYZIETH-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.42
Rot. Bonds4

About 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone

7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone (PubChem CID 136564292) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone.

Molecular Properties

Compound Name7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone
PubChem CID136564292
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone
SMILESCCCOc1nc2ccccc2cc1C(=O)N1CCC12CCOCC2
InChIInChI=1S/C20H24N2O3/c1-2-11-25-18-16(14-15-5-3-4-6-17(15)21-18)19(23)22-10-7-20(22)8-12-24-13-9-20/h3-6,14H,2,7-13H2,1H3
InChIKeyVYTHWROUYZIETH-UHFFFAOYSA-N
XLogP3.42
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone?
The IUPAC name of 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone (CID 136564292) is 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone.
What is the SMILES notation for 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone?
The canonical SMILES for 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone is CCCOc1nc2ccccc2cc1C(=O)N1CCC12CCOCC2.
What is the InChIKey of 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone?
The InChIKey is VYTHWROUYZIETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-2-11-25-18-16(14-15-5-3-4-6-17(15)21-18)19(23)22-10-7-20(22)8-12-24-13-9-20/h3-6,14H,2,7-13H2,1H3.
What are the key properties of 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone?
7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone has a molecular weight of 340.42 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxa-1-azaspiro[3.5]nonan-1-yl-(2-propoxyquinolin-3-yl)methanone is sourced from PubChem (CID 136564292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).